Sugi Predict

Sugi Predict / Compounds / SCHEMBL39171

SCHEMBL39171

SCHEMBL39171

NCCc1ccccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 1/20 0.37
▸ CA1 known ✓ P00915 1/20 0.37
▸ CA2 known ✓ P00918 1/20 0.37
▸ CA4 known ✓ P22748 1/20 0.37
▸ TAAR1 Q96RJ0 8/20 0.45
▸ HTR6 P50406 5/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ HRH1 P35367 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR1F P30939 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ RAD51 Q06609 1/20 0.38
▸ FTO Q9C0B1 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Potassium Ion SCHEMBL38561 0.85 HTR6 (0.36) TAAR1HTR6SLC6A2RAD51FTO
SCHEMBL28459186 0.84 PNMT (0.40) RAD51FTOCA12CA1CA2
SCHEMBL5167637 0.82 MAOA (0.40) HTR6HRH1
SCHEMBL6680949 0.82 TAAR1 (0.50) TAAR1HTR6HTR2ASLC6A2HRH1
SCHEMBL29538686 0.81 RAD51 (0.38) RAD51FTOCA12CA1CA2
SCHEMBL5267610 0.81 P2RY4 (0.39) RAD51FTOCA12CA2CA9
SCHEMBL10865908 0.81 RAD51 (0.40) RAD51FTOCA12CA1CA2
SCHEMBL731097 0.80 TAAR1 (0.52) TAAR1HTR6HTR2ASLC6A2HTR1D
SCHEMBL28530830 0.79 MMP2 (0.40) RAD51FTOCA12CA2CA9
SCHEMBL8745299 0.79 MGLL (0.41) RAD51FTO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448997-B1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2018-10-03 — — EP claimed
EP-2576658-B1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS S A (FR) 2018-07-11 — — EP claimed
US-9732222-B2 Modified polyamide composition RHODIA OPERATIONS (FR) 2017-08-15 — — US claimed
US-20130150524-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2013-06-13 — — US claimed
EP-2576658-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES Rhodia Operations S.A. (FR) 2013-04-10 — — EP claimed
US-20120172521-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2012-07-05 — — US claimed
EP-2448997-A1 MODIFIED POLYAMIDE COMPOSITION Rhodia Opérations (FR) 2012-05-09 — — EP claimed
WO-2011147739-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2011-12-01 — — WO claimed
WO-2011000763-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2011-01-06 — — WO claimed
EP-2448997-B1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2018-10-03 — — EP disclosed
EP-2576658-B1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS S A (FR) 2018-07-11 — — EP disclosed
EP-2448998-B1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2018-04-25 — — EP disclosed
US-9732222-B2 Modified polyamide composition RHODIA OPERATIONS (FR) 2017-08-15 — — US disclosed
US-8952122-B2 Modified polyamide, preparation method thereof and article obtained from said polyamide RHODIA OPERATIONS (FR) 2015-02-10 — — US disclosed
US-20120172538-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2012-07-05 — — US disclosed
EP-2448998-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE Rhodia Opérations (FR) 2012-05-09 — — EP disclosed
EP-2448997-A1 MODIFIED POLYAMIDE COMPOSITION Rhodia Opérations (FR) 2012-05-09 — — EP disclosed
WO-2011147739-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2011-12-01 — — WO disclosed
WO-2011000763-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2011-01-06 — — WO disclosed
WO-2011000764-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2011-01-06 — — WO disclosed